artículo académico

• Air- and Water-Stable Heteroleptic Copper (I) Complexes Bearing Bis(indazol-1-yl)methane Ligands: Synthesis, Characterisation, and Computational Studies.  MOLECULES.  29(1). 2024
• DIVERSE COOPERATIVE REACTIVITY AT A SQUARE PLANAR ALUMINIUM COMPLEX AND CATALYTIC REDUCTION OF CO2.  CHEMISTRY-A EUROPEAN JOURNAL.  29(16). 2023
• HIGH-LEVEL COUPLED-CLUSTER STUDY ON SUBSTITUENT EFFECTS IN H2 ACTIVATION BY LOW-VALENT ALUMINYL ANIONS.  JOURNAL OF PHYSICAL CHEMISTRY A.  127(4):956-965. 2023
• BULKY AND ELECTRON-DEFICIENT ALPHA-IMINOCARBOXAMIDATO-NICKEL(II) COMPLEXES: A STUDY OF THE STERIC AND ELECTRONIC EFFECTS ON ETHYLENE ACTIVATION.  EUROPEAN JOURNAL OF INORGANIC CHEMISTRY.  2021(40):4167-4174. 2021
• CONTRASTING THE MECHANISM OF H-2 ACTIVATION BY MONOMERIC AND POTASSIUM-STABILIZED DIMERIC AL-I COMPLEXES: DO POTASSIUM ATOMS EXERT ANY COOPERATIVE EFFECT?.  CHEMISTRY-A EUROPEAN JOURNAL.  27(69):17369-17378. 2021
• SUBSTITUENT EFFECTS ON ALUMINYL ANIONS AND DERIVED SYSTEMS: A HIGH-LEVEL THEORY.  JOURNAL OF PHYSICAL CHEMISTRY A.  125(8):10379-10391. 2021
• THE KETO-ENOL TAUTOMERISM OF BILIVERDIN IN BACTERIOPHYTOCHROME: COULD IT EXPLAIN THE BATHOCHROMIC SHIFT IN THE PFR FORM?(DAGGER).  PHOTOCHEMISTRY AND PHOTOBIOLOGY.  97(1):99-109. 2021
• TOWARD A NEUTRAL SINGLE-COMPONENT AMIDINATE IODIDE ALUMINUM CATALYST FOR THE CO2 FIXATION INTO CYCLIC CARBONATES.  INORGANIC CHEMISTRY.  60(2):1172-1182. 2021
• TRAPPING AN UNUSUAL PENTACOORDINATE CARBON ATOM IN A NEUTRAL TRIALUMINUM COMPLEX.  CHEMICAL COMMUNICATIONS.  57(80):10327-10330. 2021
• FORMATION OF FORMIC ACID DERIVATIVES THROUGH ACTIVATION AND HYDROBORATION OF CO2 BY LOW-VALENT GROUP 14 (SI, GE, SN, PB) CATALYSTS.  JOURNAL OF PHYSICAL CHEMISTRY A.  124(6):1121-1133. 2020
• PHENOXYLATION OF ALKYNES THROUGH MONO- AND DUAL ACTIVATION USING GROUP 11 (CU, AG, AU) CATALYSTS.  EUROPEAN JOURNAL OF INORGANIC CHEMISTRY.  2020 11-12:1123-1134. 2020
• THEORETICAL STUDY OF GLYCINE AMINO ACID ADSORPTION ON GRAPHENE OXIDE.  JOURNAL OF MOLECULAR MODELING.  26(2). 2020
• DECOMPOSITION OF THE ELECTRONIC ACTIVITY IN COMPETING [5,6] AND [6,6] CYCLOADDITION REACTIONS BETWEEN C-60 AND CYCLOPENTADIENE.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS.  21(9):5039-5048. 2019
• SUBSTITUENT EFFECTS ON THE PHOTOPHYSICAL PROPERTIES OF AMINO-AURONE-DERIVATIVES.  MOLECULAR PHYSICS.  17(9-12):1451-1458. 2019
• FE-DOPED GRAPHENE NANOSHEET AS AN ADSORPTION PLATFORM OF HARMFUL GAS MOLECULES (CO, CO2, SO2 AND H2S), AND THE CO-ADSORPTION IN O-2 ENVIRONMENTS.  APPLIED SURFACE SCIENCE.  427:227-236. 2018
• REACTION ELECTRONIC FLUX PERSPECTIVE ON THE MECHANISM OF THE ZIMMERMAN DI-PI-METHANE REARRANGEMENT.  JOURNAL OF ORGANIC CHEMISTRY.  83(11):5969-5974. 2018
• A DFT ANALYSIS OF THE ADSORPTION OF NITROGEN OXIDES ON FE-DOPED GRAPHENE, AND THE ELECTRIC FIELD INDUCED DESORPTION.  APPLIED SURFACE SCIENCE.  420:446-455. 2017
• A DFT STUDY OF HYDROGEN AND METHANE ACTIVATION BY B(C6F5)(3)/P(T-BU)(3) AND AL(C6F5)(3)/P(T-BU)(3) FRUSTRATED LEWIS PAIRS.  JOURNAL OF MOLECULAR MODELING.  23(8). 2017
• ADSORPTION/DESORPTION PROCESS OF FORMALDEHYDE ONTO IRON DOPED GRAPHENE: A THEORETICAL EXPLORATION FROM DENSITY FUNCTIONAL THEORY CALCULATIONS.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS.  19(6):4179-4189. 2017
• DOUBLE GOLD ACTIVATION OF 1-ETHYNYL-2-(PHENYLETHYNYL)BENZENE TOWARD 5-EXO-DIG AND 6-ENDO-DIG CYCLIZATION REACTIONS.  CHEMISTRY-A EUROPEAN JOURNAL.  23(54):13360-13368. 2017
• RADICALS DERIVED FROM ACETALDEHYDE AND VINYL ALCOHOL.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS.  19(40):27275-27287. 2017
• WHY LOW VALENT LEAD(II) HYDRIDE COMPLEX WOULD BE A BETTER CATALYST FOR CO2 ACTIVATION THAN ITS 14 GROUP ANALOGUES?.  JOURNAL OF PHYSICAL CHEMISTRY C.  121(22):12127-12135. 2017
• SYMMETRY-ADAPTED REACTION ELECTRONIC FLUX IN CYCLOADDITION REACTIONS.  THEORETICAL CHEMISTRY ACCOUNTS.  135(8). 2016
• CATALYTIC MECHANISM OF H-2 ACTIVATION BY A CARBENOID ALUMINUM COMPLEX.  JOURNAL OF PHYSICAL CHEMISTRY C.  119(47):26598-26604. 2015